2-bromo-3-iodophenylboronic acid

2-bromo-3-iodophenylboronic acid

CAS: 1451393-38-6

Formula: C6H5BBrIO2

SMILES: OB(O)C1=CC=CC(I)=C1Br

IUPAC: (2-bromo-3-iodophenyl)boronic acid

InChI: InChI=1S/C6H5BBrIO2/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3,10-11H

Composition: C (22.06%), H (1.54%), B (3.31%), Br (24.46%), I (38.84%), O (9.79%)

Molar Mass: 326.72

Atom Count: 16

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	325.86107
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	KBJHIDMBOYUKRM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.59
Topological Polar Surface Area	40.46
Polarizability	21.87
Ring Count	1
Rotatable Bond Count	1

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	1451393-38-6		$47.92-$760.38$47.92$79.44$211.85$760.38